4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol

C12H17BrFNO — CID 82964342

IUPAC4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol
SMILESCC(O)CCNC(C)c1ccc(Br)cc1F
InChIInChI=1S/C12H17BrFNO/c1-8(16)5-6-15-9(2)11-4-3-10(13)7-12(11)14/h3-4,7-9,15-16H,5-6H2,1-2H3
InChIKeyLAVQUPQPCPLRQA-UHFFFAOYSA-N
MW290.18 g/mol
LogP3.01
Rot. Bonds5

About 4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol

4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol (PubChem CID 82964342) has the molecular formula C12H17BrFNO and a molecular weight of 290.18 g/mol. Its IUPAC name is 4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol
PubChem CID82964342
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC Name4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol
SMILESCC(O)CCNC(C)c1ccc(Br)cc1F
InChIInChI=1S/C12H17BrFNO/c1-8(16)5-6-15-9(2)11-4-3-10(13)7-12(11)14/h3-4,7-9,15-16H,5-6H2,1-2H3
InChIKeyLAVQUPQPCPLRQA-UHFFFAOYSA-N
XLogP3.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine
CID 82961496
5-bromo-2-[1-(3-hydroxybutylamino)ethyl]phenol
CID 104582475
5-[1-(4-bromo-2-fluorophenyl)ethylamino]-2-methylpentan-1-ol
CID 102613092
(3R)-N-[(1S)-1-(4-bromo-2-fluorophenyl)ethyl]-3-[(S)-methylsulfinyl]butan-1-amine
CID 99577329
N'-[1-(4-bromo-2-fluorophenyl)ethyl]propane-1,3-diamine
CID 82963535
3-[1-(4-bromo-2-fluorophenyl)ethylamino]propane-1,2-diol
CID 82963254
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 82963086
N-[1-(4-bromo-2-fluorophenyl)ethyl]decan-1-amine
CID 82963081
3-[1-(4-bromo-2-fluorophenyl)ethylamino]propanenitrile
CID 82963032
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,2-difluoroethanamine
CID 82964200
3-[1-(4-bromo-2-fluorophenyl)ethylamino]-N,N-dimethylpropanamide
CID 82962909
4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol
CID 64912368

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol?
The IUPAC name of 4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol (CID 82964342) is 4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol.
What is the SMILES notation for 4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol?
The canonical SMILES for 4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol is CC(O)CCNC(C)c1ccc(Br)cc1F.
What is the InChIKey of 4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol?
The InChIKey is LAVQUPQPCPLRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-8(16)5-6-15-9(2)11-4-3-10(13)7-12(11)14/h3-4,7-9,15-16H,5-6H2,1-2H3.
What are the key properties of 4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol?
4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol has a molecular weight of 290.18 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol is sourced from PubChem (CID 82964342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).